(2S)-2-[(4-bromophenyl)methylcarbamoylamino]pentanoate

Systemtic Name: (2S)-2-[(4-bromophenyl)methylcarbamoylamino]pentanoate Openeye Name: (2S)-2-[(4-bromophenyl)methylcarbamoylamino]pentanoate CAS Name: (2S)-2-[[[(4-bromophenyl)methylamino]-oxomethyl]amino]pentanoate IUPAC Name: (2S)-2-[(4-bromophenyl)methylcarbamoylamino]pentanoate Traditional Name: (2S)-2-[(4-bromobenzyl)carbamoylamino]valerate Formula: C13H16BrN2O3- MolecularWeight: 328.18174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)[O-])NC(=O)NCC1=CC=C(C=C1)Br

Isomeric SMILES

CCC[C@@H](C(=O)[O-])NC(=O)NCC1=CC=C(C=C1)Br

InChI

InChI=1S/C13H17BrN2O3/c1-2-3-11(12(17)18)16-13(19)15-8-9-4-6-10(14)7-5-9/h4-7,11H,2-3,8H2,1H3,(H,17,18)(H2,15,16,19)/p-1/t11-/m0/s1